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2-(1H-Benzotriazol-1'-ylcarbonyl)benzonitrile
SpectraBase Compound ID 6UQ8Yqe8Wvj
InChI InChI=1S/C14H8N4O/c15-9-10-5-1-2-6-11(10)14(19)18-13-8-4-3-7-12(13)16-17-18/h1-8H
InChIKey KLDUTKBKSRQLGU-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C14H8N4O
Exact Mass 248.069811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYSPgmEg5U
Name 2-(1H-Benzotriazol-1'-ylcarbonyl)benzonitrile
Alternate Name(s) 2-((1H)-Benzotriazol-1'-ylcarbonyl)benzonitrile 2-(1H-1,2,3-benzotriazol-1-ylcarbonyl)benzonitrile
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Formula C14H8N4O
InChI InChI=1S/C14H8N4O/c15-9-10-5-1-2-6-11(10)14(19)18-13-8-4-3-7-12(13)16-17-18/h1-8H
InChIKey KLDUTKBKSRQLGU-UHFFFAOYSA-N
Molecular Weight 248.245 g/mol
SMILES c12nn[n](c2cccc1)C(c1c(C#N)cccc1)=O
SPLASH splash10-00fr-1970000000-2eeef9d6b79dce681fa7
Source of Spectrum B-52-778-1
Wiley ID 810788